SCHEMBL16484935

SCHEMBL16484935

c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4ccc(-n5c6cnccc6c6ccc7ccccc7c65)cc4)c4cccc-3c24)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 3/20 0.42
▸ DYRK1A Q13627 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX5 P09917 1/20 0.30
▸ CDK4 P11802 1/20 0.30
▸ CDK6 Q00534 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ HSP90AA1 P07900 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ AKT1 P31749 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16483167 0.92 TNF (0.37) TNFDYRK1AMAPTALOX5CDK4
SCHEMBL16483496 0.92 TNF (0.44) TNFMAPTKDM4EALDH1A1HPGD
SCHEMBL16483151 0.90 TNF (0.44) TNFMAPTALOX5MEN1HSP90AA1
SCHEMBL16483406 0.90 TNF (0.41) TNFDYRK1AMAPTKDM4EALDH1A1
SCHEMBL16484912 0.89 TNF (0.41) TNFDYRK1AMAPTKDM4EALOX5
SCHEMBL16484883 0.87 TNF (0.43) TNFDYRK1AMAPTKDM4EALDH1A1
SCHEMBL16484882 0.87 TNF (0.36) TNFDYRK1A
SCHEMBL16484857 0.87 TNF (0.39) TNFDYRK1AKDM4EALOX5CDK4
SCHEMBL16484887 0.86 TNF (0.34) TNFDYRK1AMAPTALDH1A1CDK4
SCHEMBL16484905 0.85 TNF (0.40) TNFDYRK1AMAPTALOX5CDK4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014057873-A1 PHOSPHINE OXIDE DERIVATIVE AND LIGHT-EMITTING ELEMENT PROVIDED WITH SAME 東レ株式会社 (JP) 2014-04-17 — — WO disclosed
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